4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline

C31H30N2 — CID 145258799

IUPAC4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline
SMILESC=Cc1c(/C=C\C)n(C2=CC=C(Nc3ccc(C4=CCCC=C4)cc3)CC2)c2ccccc12
InChIInChI=1S/C31H30N2/c1-3-10-30-28(4-2)29-13-8-9-14-31(29)33(30)27-21-19-26(20-22-27)32-25-17-15-24(16-18-25)23-11-6-5-7-12-23/h3-4,6,8-19,21,32H,2,5,7,20,22H2,1H3/b10-3-
InChIKeyQJKBFOMIJKJQOX-KMKOMSMNSA-N
MW430.60 g/mol
LogP8.68
Rot. Bonds6

About 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline

4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline (PubChem CID 145258799) has the molecular formula C31H30N2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline
PubChem CID145258799
Molecular FormulaC31H30N2
Molecular Weight430.60 g/mol
Exact Mass430.24
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline
SMILESC=Cc1c(/C=C\C)n(C2=CC=C(Nc3ccc(C4=CCCC=C4)cc3)CC2)c2ccccc12
InChIInChI=1S/C31H30N2/c1-3-10-30-28(4-2)29-13-8-9-14-31(29)33(30)27-21-19-26(20-22-27)32-25-17-15-24(16-18-25)23-11-6-5-7-12-23/h3-4,6,8-19,21,32H,2,5,7,20,22H2,1H3/b10-3-
InChIKeyQJKBFOMIJKJQOX-KMKOMSMNSA-N
XLogP8.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
N-cyclohexa-1,5-dien-1-yl-4-(4,5-diphenyl-1,2,4-triazol-3-yl)-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]aniline
CID 143825116
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole
CID 138672161
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195742
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-1-amine
CID 167190987
2,4,5-tri(carbazol-9-yl)-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 131993006
[4-[4-carbazol-9-yl-6-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174013966
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline (CID 145258799) is 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline is C=Cc1c(/C=C\C)n(C2=CC=C(Nc3ccc(C4=CCCC=C4)cc3)CC2)c2ccccc12.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline?
The InChIKey is QJKBFOMIJKJQOX-KMKOMSMNSA-N. The full InChI is InChI=1S/C31H30N2/c1-3-10-30-28(4-2)29-13-8-9-14-31(29)33(30)27-21-19-26(20-22-27)32-25-17-15-24(16-18-25)23-11-6-5-7-12-23/h3-4,6,8-19,21,32H,2,5,7,20,22H2,1H3/b10-3-.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline?
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline has a molecular weight of 430.60 g/mol, XLogP of 8.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-1,3-dien-1-yl]aniline is sourced from PubChem (CID 145258799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).